CID 119634

31684-93-2

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC1=CCC(CC1)C2(CO2)C

InChI

InChI=1S/C10H16O/c1-8-3-5-9(6-4-8)10(2)7-11-10/h3,9H,4-7H2,1-2H3

InChIKey

PJGRMBOWSWHGDV-UHFFFAOYSA-N

Compound name

2-methyl-2-(4-methylcyclohex-3-en-1-yl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 65
Patents: 152.12012 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	153.12740	135.0
[M+Na]+	175.10934	149.1
[M+NH4]+	170.15394	146.7
[M+K]+	191.08328	142.2
[M-H]-	151.11284	147.2
[M+Na-2H]-	173.09479	145.8
[M]+	152.11957	141.9
[M]-	152.12067	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe